2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine

C16H18N2O — CID 66752187

IUPAC2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
SMILESc1ccc([C@@H](Oc2ccccn2)C2CCNC2)cc1
InChIInChI=1S/C16H18N2O/c1-2-6-13(7-3-1)16(14-9-11-17-12-14)19-15-8-4-5-10-18-15/h1-8,10,14,16-17H,9,11-12H2/t14?,16-/m1/s1
InChIKeyCUFFNHLEERRPDQ-BZSJEYESSA-N
MW254.33 g/mol
LogP2.81
Rot. Bonds4

About 2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine

2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine (PubChem CID 66752187) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine.

Molecular Properties

Compound Name2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
PubChem CID66752187
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
SMILESc1ccc([C@@H](Oc2ccccn2)C2CCNC2)cc1
InChIInChI=1S/C16H18N2O/c1-2-6-13(7-3-1)16(14-9-11-17-12-14)19-15-8-4-5-10-18-15/h1-8,10,14,16-17H,9,11-12H2/t14?,16-/m1/s1
InChIKeyCUFFNHLEERRPDQ-BZSJEYESSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine?
The IUPAC name of 2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine (CID 66752187) is 2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine.
What is the SMILES notation for 2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine?
The canonical SMILES for 2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine is c1ccc([C@@H](Oc2ccccn2)C2CCNC2)cc1.
What is the InChIKey of 2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine?
The InChIKey is CUFFNHLEERRPDQ-BZSJEYESSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-6-13(7-3-1)16(14-9-11-17-12-14)19-15-8-4-5-10-18-15/h1-8,10,14,16-17H,9,11-12H2/t14?,16-/m1/s1.
What are the key properties of 2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine?
2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine has a molecular weight of 254.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine is sourced from PubChem (CID 66752187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).